CID 154577179

2168784-50-5

Structural Information

Molecular Formula
C9H15BrO2
SMILES
C1COCCC1(CC2CO2)CBr
InChI
InChI=1S/C9H15BrO2/c10-7-9(5-8-6-12-8)1-3-11-4-2-9/h8H,1-7H2
InChIKey
UUCIFDAFSQKOJK-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-(oxiran-2-ylmethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.032816 147.2
[M+Na]+ 257.014758 157.6
[M-H]- 233.018264 157.7
[M+NH4]+ 252.059363 163.2
[M+K]+ 272.988698 151.1
[M+H-H2O]+ 217.022800 147.2
[M+HCOO]- 279.023741 163.8
[M+CH3COO]- 293.039391 188.2
[M+Na-2H]- 255.000206 156.3
[M]+ 234.02499142 166.5
[M]- 234.02608858 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.